[(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane

C23H42OSi — CID 11783414

About [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane

[(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane (PubChem CID 11783414) has the molecular formula C23H42OSi and a molecular weight of 362.67 g/mol. Its IUPAC name is [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane.

Molecular Properties

• Compound Name: [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane
• PubChem CID: 11783414
• Molecular Formula: C23H42OSi
• Molecular Weight: 362.67 g/mol
• Exact Mass: 362.30
• IUPAC Name: [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane
• SMILES: CC(C)=CCC/C(=C/CC/C=C(\C)CCC1OC1(C)C)C[Si](C)(C)C
• InChI: InChI=1S/C23H42OSi/c1-19(2)12-11-15-21(18-25(6,7)8)14-10-9-13-20(3)16-17-22-23(4,5)24-22/h12-14,22H,9-11,15-18H2,1-8H3/b20-13+,21-14-
• InChIKey: MAMVLIGOOMXROZ-NAWSQEDCSA-N
• XLogP: 7.68
• TPSA: 12.53 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 11
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.67
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane?

The IUPAC name of [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane (CID 11783414) is [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane.

What is the SMILES notation for [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane?

The canonical SMILES for [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane is CC(C)=CCC/C(=C/CC/C=C(\C)CCC1OC1(C)C)C[Si](C)(C)C.

What is the InChIKey of [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane?

The InChIKey is MAMVLIGOOMXROZ-NAWSQEDCSA-N. The full InChI is InChI=1S/C23H42OSi/c1-19(2)12-11-15-21(18-25(6,7)8)14-10-9-13-20(3)16-17-22-23(4,5)24-22/h12-14,22H,9-11,15-18H2,1-8H3/b20-13+,21-14-.

What are the key properties of [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane?

[(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane has a molecular weight of 362.67 g/mol, XLogP of 7.68, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(2Z,6E)-9-(3,3-dimethyloxiran-2-yl)-7-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienyl]-trimethylsilane is sourced from PubChem (CID 11783414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).